Titlebook: Computational Methods in Band Theory; Proceedings of a Con P. M. Marcus,J. F. Janak,A. R. Williams Conference proceedings 1971 Plenum Press

機(jī)制

懦夫

切碎

https://doi.org/10.1007/978-1-4684-1890-3Potential; band structure; band theory; experiment; information; paper; society; solution; susceptibility; wa

GLIB

978-1-4684-1892-7Plenum Press, New York 1971

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高貴領(lǐng)導(dǎo)

Substances Containing Ag...C10H15The algorithm is a combination of Householder reduction to tri-diagonal form and a modified QR method for obtaining both eigenvalues and eigenvectors of the reduced matrix. The central new practical technique communicated here lies in the modification of the QR method when generating eigenvectors along with the eigenvalues.

Heart-Attack

Evocative

A Comparison of Different Computer-Oriented Methods for the Energy Bands of Solids. a periodic potential, and the difficulties associated with this aspect of the problem have been nicely described by Professor Slater in the preceding talk (l). This talk will describe the second part of the problem, namely the solution of the Schr?dinger equation defined by the periodic potential (2).

Alveolar-Bone

Diagonalization of Hermitian Matrices; Maximization of Speed and AccuracyThe algorithm is a combination of Householder reduction to tri-diagonal form and a modified QR method for obtaining both eigenvalues and eigenvectors of the reduced matrix. The central new practical technique communicated here lies in the modification of the QR method when generating eigenvectors along with the eigenvalues.

HALL

Band Structure Calculations for Semiconductors and Insulators Using the KKR Method doing this we always used the simple muffin-tin model with spherical symmetric potentials in nonoverlapping spheres and constant elsewhere. The constant potential value V. was taken as a fitting parameter to adjust the fundamental band gap.